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	hartrees
Energy at 0K	-509.900536
Energy at 298.15K	-509.900407
HF Energy	-509.900536
Nuclear repulsion energy	79.353423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2148	2116	520.65	9.98	0.49	0.66
2	Σ	892	879	4.64	15.93	0.18	0.31
3	Π	529	521	2.47	0.67	0.75	0.86
3	Π	529	521	2.47	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.521
O2	0.000	0.000	-1.683
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1626	1.5580
O2	1.1626		2.7205
S3	1.5580	2.7205

Number	Element	Mulliken
1	C	0.355
2	O	-0.146
3	S	-0.209

All results from a given calculation for OCS (Carbonyl sulfide)

using model chemistry: SVWN/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	55.992
(<r²>)^1/2	7.483